Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.1753    0.2186   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707   -0.6476   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429    0.1636   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087    1.3580    0.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5911   -0.3631   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571    0.3888   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4519    0.7212   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    1.0438    0.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -0.3850    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608   -1.5447    0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478   -1.0001   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -1.3958   -0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    1.4188    0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    0.0236   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers